4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

C18H23N5O4S2 — CID 3860553

IUPAC4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C(=O)NCC1CCCO1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C18H23N5O4S2/c1-10(17(25)21-8-11-4-2-6-27-11)23(9-12-5-3-7-28-12)18(26)15-13(19)14(16(20)24)22-29-15/h3,5,7,10-11H,2,4,6,8-9,19H2,1H3,(H2,20,24)(H,21,25)
InChIKeyWDGLMHBLGCBDSG-UHFFFAOYSA-N
MW437.55 g/mol
LogP1.21
Rot. Bonds8

About 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3860553) has the molecular formula C18H23N5O4S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID3860553
Molecular FormulaC18H23N5O4S2
Molecular Weight437.55 g/mol
Exact Mass437.12
IUPAC Name4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C(=O)NCC1CCCO1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C18H23N5O4S2/c1-10(17(25)21-8-11-4-2-6-27-11)23(9-12-5-3-7-28-12)18(26)15-13(19)14(16(20)24)22-29-15/h3,5,7,10-11H,2,4,6,8-9,19H2,1H3,(H2,20,24)(H,21,25)
InChIKeyWDGLMHBLGCBDSG-UHFFFAOYSA-N
XLogP1.21
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-5-N-[1-(4-hydroxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 4539063
4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3174524
4-amino-5-N-(2-methylphenyl)-5-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25454153
4-amino-5-N-(4-methylphenyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3433360
4-amino-5-N-(3-methylphenyl)-5-N-[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25454181
4-amino-5-N-[(2-fluorophenyl)methyl]-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 93473463
4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25454298
4-amino-5-N-[(2S)-1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 40618535
4-amino-5-N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180607
4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-N-[2-(2-methylphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 98089866
4-amino-5-N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-N-[2-(2-methylphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3177490
4-amino-5-N-[1-(4-ethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3185777

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide (CID 3860553) is 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide is CC(C(=O)NCC1CCCO1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is WDGLMHBLGCBDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S2/c1-10(17(25)21-8-11-4-2-6-27-11)23(9-12-5-3-7-28-12)18(26)15-13(19)14(16(20)24)22-29-15/h3,5,7,10-11H,2,4,6,8-9,19H2,1H3,(H2,20,24)(H,21,25).
What are the key properties of 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 437.55 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3860553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).